USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 184 hydrogens (0 hets) HEADER DNA 01-AUG-90 1D19 TITLE SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA OCTAMERS TITLE 2 USING NUCLEAR MAGNETIC RESONANCE, RESTRAINED MOLECULAR TITLE 3 DYNAMICS AND NOE-BASED REFINEMENT COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS DNA, NMR, DOUBLE HELIX EXPDTA SOLUTION NMR AUTHOR J.D.BALEJA,B.D.SYKES REVDAT 4 24-FEB-09 1D19 1 VERSN REVDAT 3 01-APR-03 1D19 1 JRNL REVDAT 2 15-OCT-94 1D19 1 COMPND EXPDTA REVDAT 1 15-JUL-91 1D19 0 JRNL AUTH J.D.BALEJA,M.W.GERMANN,J.H.VAN DE SANDE,B.D.SYKES JRNL TITL SOLUTION CONFORMATION OF PURINE-PYRIMIDINE DNA JRNL TITL 2 OCTAMERS USING NUCLEAR MAGNETIC RESONANCE, JRNL TITL 3 RESTRAINED MOLECULAR DYNAMICS AND NOE-BASED JRNL TITL 4 REFINEMENT. JRNL REF J.MOL.BIOL. V. 215 411 1990 JRNL REFN ISSN 0022-2836 JRNL PMID 2231713 JRNL DOI 10.1016/S0022-2836(05)80361-4 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.D.BALEJA,J.MOULT,B.D.SYKES REMARK 1 TITL DISTANCE MEASUREMENT AND STRUCTURE REFINEMENT WITH REMARK 1 TITL 2 NOE DATA REMARK 1 REF J.MAGN.RESON. V. 87 375 1990 REMARK 1 REFN ISSN 0022-2364 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GROMOS REMARK 3 AUTHORS : DE VLIEG ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS THEN REFINED REMARK 3 AGAINST PRIMARY NOE DATA. THE R VALUE IS 0.19 OVER ALL REMARK 3 OBSERVED, QUANTIFIED, NOE CROSSPEAK INTENSITIES. THE NOE-BASED REMARK 3 PROCEDURE USED TO REFINE THESE STRUCTURES INCLUDED CORRELATION REMARK 3 TIME ADJUSTMENT FACTORS, WHICH ARE APPROXIMATELY RELATED TO REMARK 3 THE INVERSE OF THE TEMPERATURE FACTORS ASSOCIATED WITH X-RAY REMARK 3 CRYSTALLOGRAPHY. THESE VALUES ARE INCLUDED IN THE COLUMN REMARK 3 NORMALLY USED FOR TEMPERATURE FACTORS. VALUES OF 0.0 APPEAR REMARK 3 FOR NON-HYDROGEN ATOMS, WHICH WERE NOT USED IN THE NMR REMARK 3 CALCULATIONS. FURTHER DETAILS ARE GIVEN IN REFERENCE 1. REMARK 4 REMARK 4 1D19 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : ENERGY MINIMIZATION, REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DG A 1 C5 DG A 1 N7 -0.062 REMARK 500 DG A 1 N9 DG A 1 C4 -0.050 REMARK 500 DT A 2 C4 DT A 2 C5 -0.057 REMARK 500 DT A 2 C5 DT A 2 C6 0.054 REMARK 500 DT A 2 C5 DT A 2 C7 0.037 REMARK 500 DA A 3 C5 DA A 3 N7 -0.067 REMARK 500 DA A 3 N9 DA A 3 C4 -0.041 REMARK 500 DC A 4 N1 DC A 4 C6 0.038 REMARK 500 DC A 4 C5 DC A 4 C6 0.049 REMARK 500 DG A 5 C5 DG A 5 N7 -0.057 REMARK 500 DT A 6 C5 DT A 6 C6 0.048 REMARK 500 DA A 7 C5 DA A 7 N7 -0.059 REMARK 500 DA A 7 N9 DA A 7 C4 -0.051 REMARK 500 DG B 9 C5 DG B 9 N7 -0.063 REMARK 500 DG B 9 N9 DG B 9 C4 -0.050 REMARK 500 DT B 10 C5 DT B 10 C6 0.042 REMARK 500 DA B 11 C5 DA B 11 N7 -0.059 REMARK 500 DA B 11 N9 DA B 11 C4 -0.041 REMARK 500 DC B 12 C5 DC B 12 C6 0.051 REMARK 500 DG B 13 C5 DG B 13 N7 -0.062 REMARK 500 DG B 13 N9 DG B 13 C4 -0.049 REMARK 500 DT B 14 C5 DT B 14 C6 0.044 REMARK 500 DA B 15 C5 DA B 15 N7 -0.062 REMARK 500 DA B 15 N9 DA B 15 C4 -0.047 REMARK 500 DC B 16 N1 DC B 16 C6 0.037 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG A 1 C6 - N1 - C2 ANGL. DEV. = -5.2 DEGREES REMARK 500 DG A 1 N1 - C2 - N3 ANGL. DEV. = -3.8 DEGREES REMARK 500 DG A 1 C2 - N3 - C4 ANGL. DEV. = 9.1 DEGREES REMARK 500 DG A 1 N3 - C4 - C5 ANGL. DEV. = -7.1 DEGREES REMARK 500 DG A 1 C5 - C6 - N1 ANGL. DEV. = 7.0 DEGREES REMARK 500 DG A 1 C4 - C5 - N7 ANGL. DEV. = -3.0 DEGREES REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = -3.3 DEGREES REMARK 500 DG A 1 N3 - C4 - N9 ANGL. DEV. = 5.2 DEGREES REMARK 500 DG A 1 C5 - C6 - O6 ANGL. DEV. = -7.8 DEGREES REMARK 500 DT A 2 N1 - C2 - N3 ANGL. DEV. = 5.3 DEGREES REMARK 500 DT A 2 C2 - N3 - C4 ANGL. DEV. = -5.9 DEGREES REMARK 500 DT A 2 N3 - C4 - C5 ANGL. DEV. = 4.2 DEGREES REMARK 500 DT A 2 N3 - C2 - O2 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 2 C6 - C5 - C7 ANGL. DEV. = -4.7 DEGREES REMARK 500 DA A 3 N1 - C2 - N3 ANGL. DEV. = -6.9 DEGREES REMARK 500 DA A 3 C2 - N3 - C4 ANGL. DEV. = 9.0 DEGREES REMARK 500 DA A 3 N3 - C4 - C5 ANGL. DEV. = -6.9 DEGREES REMARK 500 DA A 3 C5 - N7 - C8 ANGL. DEV. = 3.3 DEGREES REMARK 500 DA A 3 N7 - C8 - N9 ANGL. DEV. = -3.4 DEGREES REMARK 500 DA A 3 N3 - C4 - N9 ANGL. DEV. = 5.7 DEGREES REMARK 500 DG A 5 C6 - N1 - C2 ANGL. DEV. = -5.5 DEGREES REMARK 500 DG A 5 C2 - N3 - C4 ANGL. DEV. = 8.4 DEGREES REMARK 500 DG A 5 N3 - C4 - C5 ANGL. DEV. = -7.3 DEGREES REMARK 500 DG A 5 C5 - C6 - N1 ANGL. DEV. = 7.6 DEGREES REMARK 500 DG A 5 C4 - C5 - N7 ANGL. DEV. = -3.4 DEGREES REMARK 500 DG A 5 C5 - N7 - C8 ANGL. DEV. = 3.3 DEGREES REMARK 500 DG A 5 N7 - C8 - N9 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG A 5 N3 - C4 - N9 ANGL. DEV. = 5.4 DEGREES REMARK 500 DG A 5 C5 - C6 - O6 ANGL. DEV. = -8.3 DEGREES REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DT A 6 N1 - C2 - N3 ANGL. DEV. = 4.6 DEGREES REMARK 500 DT A 6 C2 - N3 - C4 ANGL. DEV. = -6.3 DEGREES REMARK 500 DT A 6 N3 - C4 - C5 ANGL. DEV. = 4.9 DEGREES REMARK 500 DT A 6 N3 - C2 - O2 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT A 6 C6 - C5 - C7 ANGL. DEV. = -4.5 DEGREES REMARK 500 DA A 7 N1 - C2 - N3 ANGL. DEV. = -6.7 DEGREES REMARK 500 DA A 7 C2 - N3 - C4 ANGL. DEV. = 8.7 DEGREES REMARK 500 DA A 7 N3 - C4 - C5 ANGL. DEV. = -7.0 DEGREES REMARK 500 DA A 7 C5 - N7 - C8 ANGL. DEV. = 3.1 DEGREES REMARK 500 DA A 7 N7 - C8 - N9 ANGL. DEV. = -3.5 DEGREES REMARK 500 DA A 7 N3 - C4 - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG B 9 C6 - N1 - C2 ANGL. DEV. = -5.6 DEGREES REMARK 500 DG B 9 N1 - C2 - N3 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG B 9 C2 - N3 - C4 ANGL. DEV. = 9.6 DEGREES REMARK 500 DG B 9 N3 - C4 - C5 ANGL. DEV. = -8.2 DEGREES REMARK 500 DG B 9 C5 - C6 - N1 ANGL. DEV. = 7.1 DEGREES REMARK 500 DG B 9 C4 - C5 - N7 ANGL. DEV. = -3.5 DEGREES REMARK 500 DG B 9 C5 - N7 - C8 ANGL. DEV. = 3.4 DEGREES REMARK 500 DG B 9 N3 - C4 - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 DG B 9 C5 - C6 - O6 ANGL. DEV. = -7.9 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 80 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DG A 1 0.08 SIDE_CHAIN REMARK 500 DT A 2 0.09 SIDE_CHAIN REMARK 500 DA A 3 0.05 SIDE_CHAIN REMARK 500 DC A 4 0.08 SIDE_CHAIN REMARK 500 DG A 5 0.10 SIDE_CHAIN REMARK 500 DT A 6 0.10 SIDE_CHAIN REMARK 500 DG B 9 0.09 SIDE_CHAIN REMARK 500 DT B 10 0.11 SIDE_CHAIN REMARK 500 DC B 12 0.08 SIDE_CHAIN REMARK 500 DG B 13 0.10 SIDE_CHAIN REMARK 500 DT B 14 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D18 RELATED DB: PDB DBREF 1D19 A 1 8 PDB 1D19 1D19 1 8 DBREF 1D19 B 9 16 PDB 1D19 1D19 9 16 SEQRES 1 A 8 DG DT DA DC DG DT DA DC SEQRES 1 B 8 DG DT DA DC DG DT DA DC CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DG O5' : rot 180:sc= 0 USER MOD Single : B 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl 150:sc=-0.00478 (180deg=-0.00478) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.220 7.320 12.550 1.00 0.00 O ATOM 2 C5' DG A 1 6.590 7.150 12.900 1.00 0.00 C ATOM 3 C4' DG A 1 7.330 6.280 11.900 1.00 0.00 C ATOM 4 O4' DG A 1 6.730 4.980 11.910 1.00 0.00 O ATOM 5 C3' DG A 1 7.220 6.820 10.480 1.00 0.00 C ATOM 6 O3' DG A 1 8.540 6.970 9.920 1.00 0.00 O ATOM 7 C2' DG A 1 6.350 5.810 9.750 1.00 0.00 C ATOM 8 C1' DG A 1 6.590 4.540 10.550 1.00 0.00 C ATOM 9 N9 DG A 1 5.440 3.600 10.500 1.00 0.00 N ATOM 10 C8 DG A 1 4.210 3.800 10.980 1.00 0.00 C ATOM 11 N7 DG A 1 3.540 2.640 11.010 1.00 0.00 N ATOM 12 C5 DG A 1 4.360 1.700 10.560 1.00 0.00 C ATOM 13 C6 DG A 1 4.240 0.330 10.420 1.00 0.00 C ATOM 14 O6 DG A 1 3.210 -0.250 10.760 1.00 0.00 O ATOM 15 N1 DG A 1 5.340 -0.390 9.950 1.00 0.00 N ATOM 16 C2 DG A 1 6.520 0.280 9.620 1.00 0.00 C ATOM 17 N2 DG A 1 7.590 -0.400 9.240 1.00 0.00 N ATOM 18 N3 DG A 1 6.600 1.600 9.760 1.00 0.00 N ATOM 19 C4 DG A 1 5.560 2.310 10.220 1.00 0.00 C ATOM 0 H5' DG A 1 6.658 6.701 13.891 1.00 0.00 H new ATOM 0 H5'' DG A 1 7.073 8.126 12.959 1.00 0.00 H new ATOM 0 H4' DG A 1 8.382 6.259 12.186 1.00 0.00 H new ATOM 0 H3' DG A 1 6.770 7.811 10.411 1.00 0.00 H new ATOM 0 H2' DG A 1 5.299 6.100 9.753 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.646 5.696 8.707 1.00 0.00 H new ATOM 0 HO5' DG A 1 4.779 7.884 13.219 1.00 0.00 H new ATOM 0 H1' DG A 1 7.455 4.012 10.149 1.00 0.00 H new ATOM 0 H8 DG A 1 3.815 4.754 11.297 1.00 0.00 H new ATOM 0 H1 DG A 1 5.282 -1.403 9.848 1.00 0.00 H new ATOM 0 H21 DG A 1 8.450 0.094 9.000 1.00 0.00 H new ATOM 0 H22 DG A 1 7.555 -1.418 9.187 1.00 0.00 H new ATOM 32 P DT A 2 8.810 7.550 8.440 1.00 0.00 P ATOM 33 OP1 DT A 2 10.190 8.070 8.390 1.00 0.00 O ATOM 34 OP2 DT A 2 7.690 8.440 8.040 1.00 0.00 O ATOM 35 O5' DT A 2 8.710 6.190 7.580 1.00 0.00 O ATOM 36 C5' DT A 2 9.690 5.160 7.750 1.00 0.00 C ATOM 37 C4' DT A 2 9.360 3.950 6.910 1.00 0.00 C ATOM 38 O4' DT A 2 8.150 3.290 7.340 1.00 0.00 O ATOM 39 C3' DT A 2 9.170 4.350 5.460 1.00 0.00 C ATOM 40 O3' DT A 2 10.250 3.810 4.690 1.00 0.00 O ATOM 41 C2' DT A 2 7.820 3.780 5.080 1.00 0.00 C ATOM 42 C1' DT A 2 7.570 2.740 6.150 1.00 0.00 C ATOM 43 N1 DT A 2 6.130 2.460 6.380 1.00 0.00 N ATOM 44 C2 DT A 2 5.680 1.130 6.430 1.00 0.00 C ATOM 45 O2 DT A 2 6.360 0.210 5.990 1.00 0.00 O ATOM 46 N3 DT A 2 4.400 0.850 6.880 1.00 0.00 N ATOM 47 C4 DT A 2 3.530 1.870 7.270 1.00 0.00 C ATOM 48 O4 DT A 2 2.420 1.560 7.710 1.00 0.00 O ATOM 49 C5 DT A 2 3.950 3.190 7.190 1.00 0.00 C ATOM 50 C7 DT A 2 3.020 4.360 7.530 1.00 0.00 C ATOM 51 C6 DT A 2 5.240 3.480 6.750 1.00 0.00 C ATOM 0 H5' DT A 2 9.742 4.874 8.800 1.00 0.00 H new ATOM 0 H5'' DT A 2 10.673 5.541 7.474 1.00 0.00 H new ATOM 0 H4' DT A 2 10.199 3.264 7.025 1.00 0.00 H new ATOM 0 H3' DT A 2 9.183 5.425 5.283 1.00 0.00 H new ATOM 0 H2' DT A 2 7.046 4.547 5.076 1.00 0.00 H new ATOM 0 H2'' DT A 2 7.836 3.337 4.084 1.00 0.00 H new ATOM 0 H1' DT A 2 8.002 1.786 5.850 1.00 0.00 H new ATOM 0 H3 DT A 2 4.087 -0.120 6.927 1.00 0.00 H new ATOM 0 H71 DT A 2 3.608 5.192 7.917 1.00 0.00 H new ATOM 0 H72 DT A 2 2.490 4.677 6.632 1.00 0.00 H new ATOM 0 H73 DT A 2 2.299 4.044 8.284 1.00 0.00 H new ATOM 0 H6 DT A 2 5.561 4.510 6.693 1.00 0.00 H new ATOM 64 P DA A 3 10.630 4.330 3.210 1.00 0.00 P ATOM 65 OP1 DA A 3 12.100 4.480 3.140 1.00 0.00 O ATOM 66 OP2 DA A 3 9.780 5.490 2.850 1.00 0.00 O ATOM 67 O5' DA A 3 10.170 3.070 2.330 1.00 0.00 O ATOM 68 C5' DA A 3 10.880 1.830 2.430 1.00 0.00 C ATOM 69 C4' DA A 3 10.100 0.720 1.760 1.00 0.00 C ATOM 70 O4' DA A 3 8.830 0.590 2.420 1.00 0.00 O ATOM 71 C3' DA A 3 9.840 1.030 0.290 1.00 0.00 C ATOM 72 O3' DA A 3 10.360 -0.030 -0.520 1.00 0.00 O ATOM 73 C2' DA A 3 8.340 1.210 0.210 1.00 0.00 C ATOM 74 C1' DA A 3 7.830 0.430 1.400 1.00 0.00 C ATOM 75 N9 DA A 3 6.550 0.950 1.940 1.00 0.00 N ATOM 76 C8 DA A 3 6.230 2.220 2.200 1.00 0.00 C ATOM 77 N7 DA A 3 5.090 2.280 2.880 1.00 0.00 N ATOM 78 C5 DA A 3 4.660 1.040 3.030 1.00 0.00 C ATOM 79 C6 DA A 3 3.530 0.490 3.620 1.00 0.00 C ATOM 80 N6 DA A 3 2.630 1.280 4.200 1.00 0.00 N ATOM 81 N1 DA A 3 3.360 -0.830 3.580 1.00 0.00 N ATOM 82 C2 DA A 3 4.260 -1.610 3.000 1.00 0.00 C ATOM 83 N3 DA A 3 5.350 -1.130 2.430 1.00 0.00 N ATOM 84 C4 DA A 3 5.570 0.190 2.430 1.00 0.00 C ATOM 0 H5' DA A 3 11.048 1.583 3.478 1.00 0.00 H new ATOM 0 H5'' DA A 3 11.861 1.927 1.964 1.00 0.00 H new ATOM 0 H4' DA A 3 10.684 -0.198 1.827 1.00 0.00 H new ATOM 0 H3' DA A 3 10.337 1.925 -0.085 1.00 0.00 H new ATOM 0 H2' DA A 3 8.058 2.261 0.268 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.938 0.823 -0.726 1.00 0.00 H new ATOM 0 H1' DA A 3 7.650 -0.602 1.098 1.00 0.00 H new ATOM 0 H8 DA A 3 6.815 3.077 1.900 1.00 0.00 H new ATOM 0 H61 DA A 3 1.800 0.875 4.633 1.00 0.00 H new ATOM 0 H62 DA A 3 2.770 2.290 4.211 1.00 0.00 H new ATOM 0 H2 DA A 3 4.096 -2.677 2.993 1.00 0.00 H new ATOM 96 P DC A 4 10.170 -0.150 -2.120 1.00 0.00 P ATOM 97 OP1 DC A 4 11.400 -0.770 -2.690 1.00 0.00 O ATOM 98 OP2 DC A 4 9.700 1.130 -2.680 1.00 0.00 O ATOM 99 O5' DC A 4 8.970 -1.210 -2.180 1.00 0.00 O ATOM 100 C5' DC A 4 9.140 -2.520 -1.610 1.00 0.00 C ATOM 101 C4' DC A 4 7.830 -3.270 -1.520 1.00 0.00 C ATOM 102 O4' DC A 4 6.870 -2.440 -0.820 1.00 0.00 O ATOM 103 C3' DC A 4 7.250 -3.550 -2.900 1.00 0.00 C ATOM 104 O3' DC A 4 6.900 -4.950 -2.970 1.00 0.00 O ATOM 105 C2' DC A 4 6.060 -2.620 -3.000 1.00 0.00 C ATOM 106 C1' DC A 4 5.640 -2.530 -1.550 1.00 0.00 C ATOM 107 N1 DC A 4 4.800 -1.340 -1.240 1.00 0.00 N ATOM 108 C2 DC A 4 3.640 -1.490 -0.470 1.00 0.00 C ATOM 109 O2 DC A 4 3.180 -2.610 -0.240 1.00 0.00 O ATOM 110 N3 DC A 4 2.970 -0.420 -0.040 1.00 0.00 N ATOM 111 C4 DC A 4 3.370 0.830 -0.320 1.00 0.00 C ATOM 112 N4 DC A 4 2.730 1.850 0.240 1.00 0.00 N ATOM 113 C5 DC A 4 4.500 1.050 -1.100 1.00 0.00 C ATOM 114 C6 DC A 4 5.220 -0.040 -1.570 1.00 0.00 C ATOM 0 H5' DC A 4 9.575 -2.429 -0.615 1.00 0.00 H new ATOM 0 H5'' DC A 4 9.844 -3.091 -2.215 1.00 0.00 H new ATOM 0 H4' DC A 4 8.018 -4.212 -1.006 1.00 0.00 H new ATOM 0 H3' DC A 4 7.931 -3.371 -3.732 1.00 0.00 H new ATOM 0 H2' DC A 4 6.330 -1.648 -3.412 1.00 0.00 H new ATOM 0 H2'' DC A 4 5.271 -3.026 -3.633 1.00 0.00 H new ATOM 0 H1' DC A 4 5.025 -3.392 -1.291 1.00 0.00 H new ATOM 0 H41 DC A 4 3.020 2.807 0.039 1.00 0.00 H new ATOM 0 H42 DC A 4 1.948 1.677 0.872 1.00 0.00 H new ATOM 0 H5 DC A 4 4.814 2.056 -1.337 1.00 0.00 H new ATOM 0 H6 DC A 4 6.096 0.110 -2.184 1.00 0.00 H new ATOM 126 P DG A 5 6.170 -5.650 -4.230 1.00 0.00 P ATOM 127 OP1 DG A 5 6.610 -7.060 -4.300 1.00 0.00 O ATOM 128 OP2 DG A 5 6.310 -4.790 -5.430 1.00 0.00 O ATOM 129 O5' DG A 5 4.630 -5.590 -3.740 1.00 0.00 O ATOM 130 C5' DG A 5 4.200 -6.400 -2.640 1.00 0.00 C ATOM 131 C4' DG A 5 2.690 -6.390 -2.490 1.00 0.00 C ATOM 132 O4' DG A 5 2.240 -5.070 -2.130 1.00 0.00 O ATOM 133 C3' DG A 5 2.000 -6.770 -3.790 1.00 0.00 C ATOM 134 O3' DG A 5 1.050 -7.820 -3.530 1.00 0.00 O ATOM 135 C2' DG A 5 1.380 -5.480 -4.280 1.00 0.00 C ATOM 136 C1' DG A 5 1.130 -4.750 -2.980 1.00 0.00 C ATOM 137 N9 DG A 5 1.110 -3.270 -3.140 1.00 0.00 N ATOM 138 C8 DG A 5 2.110 -2.510 -3.590 1.00 0.00 C ATOM 139 N7 DG A 5 1.900 -1.240 -3.260 1.00 0.00 N ATOM 140 C5 DG A 5 0.740 -1.180 -2.610 1.00 0.00 C ATOM 141 C6 DG A 5 0.000 -0.140 -2.080 1.00 0.00 C ATOM 142 O6 DG A 5 0.470 1.000 -2.040 1.00 0.00 O ATOM 143 N1 DG A 5 -1.240 -0.410 -1.530 1.00 0.00 N ATOM 144 C2 DG A 5 -1.720 -1.720 -1.520 1.00 0.00 C ATOM 145 N2 DG A 5 -2.930 -1.980 -1.050 1.00 0.00 N ATOM 146 N3 DG A 5 -0.980 -2.720 -2.010 1.00 0.00 N ATOM 147 C4 DG A 5 0.230 -2.470 -2.550 1.00 0.00 C ATOM 0 H5' DG A 5 4.659 -6.038 -1.720 1.00 0.00 H new ATOM 0 H5'' DG A 5 4.544 -7.424 -2.786 1.00 0.00 H new ATOM 0 H4' DG A 5 2.439 -7.115 -1.716 1.00 0.00 H new ATOM 0 H3' DG A 5 2.663 -7.172 -4.556 1.00 0.00 H new ATOM 0 H2' DG A 5 2.050 -4.927 -4.938 1.00 0.00 H new ATOM 0 H2'' DG A 5 0.459 -5.653 -4.836 1.00 0.00 H new ATOM 0 H1' DG A 5 0.159 -5.052 -2.587 1.00 0.00 H new ATOM 0 H8 DG A 5 2.965 -2.874 -4.141 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.801 0.345 -1.134 1.00 0.00 H new ATOM 0 H21 DG A 5 -3.280 -2.938 -1.043 1.00 0.00 H new ATOM 0 H22 DG A 5 -3.513 -1.222 -0.695 1.00 0.00 H new ATOM 159 P DT A 6 0.160 -8.510 -4.680 1.00 0.00 P ATOM 160 OP1 DT A 6 -0.320 -9.820 -4.190 1.00 0.00 O ATOM 161 OP2 DT A 6 0.890 -8.450 -5.970 1.00 0.00 O ATOM 162 O5' DT A 6 -1.070 -7.480 -4.750 1.00 0.00 O ATOM 163 C5' DT A 6 -2.000 -7.380 -3.660 1.00 0.00 C ATOM 164 C4' DT A 6 -2.980 -6.250 -3.890 1.00 0.00 C ATOM 165 O4' DT A 6 -2.360 -4.950 -3.840 1.00 0.00 O ATOM 166 C3' DT A 6 -3.630 -6.370 -5.260 1.00 0.00 C ATOM 167 O3' DT A 6 -4.940 -6.950 -5.110 1.00 0.00 O ATOM 168 C2' DT A 6 -3.660 -4.950 -5.790 1.00 0.00 C ATOM 169 C1' DT A 6 -3.240 -4.110 -4.610 1.00 0.00 C ATOM 170 N1 DT A 6 -2.540 -2.870 -5.040 1.00 0.00 N ATOM 171 C2 DT A 6 -2.990 -1.620 -4.570 1.00 0.00 C ATOM 172 O2 DT A 6 -4.120 -1.470 -4.110 1.00 0.00 O ATOM 173 N3 DT A 6 -2.200 -0.490 -4.780 1.00 0.00 N ATOM 174 C4 DT A 6 -0.990 -0.580 -5.460 1.00 0.00 C ATOM 175 O4 DT A 6 -0.280 0.430 -5.540 1.00 0.00 O ATOM 176 C5 DT A 6 -0.570 -1.800 -5.980 1.00 0.00 C ATOM 177 C7 DT A 6 0.660 -1.930 -6.870 1.00 0.00 C ATOM 178 C6 DT A 6 -1.340 -2.930 -5.750 1.00 0.00 C ATOM 0 H5' DT A 6 -1.459 -7.214 -2.729 1.00 0.00 H new ATOM 0 H5'' DT A 6 -2.541 -8.320 -3.551 1.00 0.00 H new ATOM 0 H4' DT A 6 -3.712 -6.336 -3.087 1.00 0.00 H new ATOM 0 H3' DT A 6 -3.098 -7.020 -5.955 1.00 0.00 H new ATOM 0 H2' DT A 6 -2.979 -4.824 -6.632 1.00 0.00 H new ATOM 0 H2'' DT A 6 -4.655 -4.676 -6.141 1.00 0.00 H new ATOM 0 H1' DT A 6 -4.104 -3.780 -4.033 1.00 0.00 H new ATOM 0 H3 DT A 6 -2.514 0.415 -4.430 1.00 0.00 H new ATOM 0 H71 DT A 6 1.108 -2.914 -6.731 1.00 0.00 H new ATOM 0 H72 DT A 6 0.369 -1.808 -7.913 1.00 0.00 H new ATOM 0 H73 DT A 6 1.385 -1.161 -6.604 1.00 0.00 H new ATOM 0 H6 DT A 6 -1.002 -3.882 -6.131 1.00 0.00 H new ATOM 191 P DA A 7 -5.890 -7.330 -6.360 1.00 0.00 P ATOM 192 OP1 DA A 7 -6.730 -8.490 -5.990 1.00 0.00 O ATOM 193 OP2 DA A 7 -5.070 -7.410 -7.600 1.00 0.00 O ATOM 194 O5' DA A 7 -6.800 -6.010 -6.450 1.00 0.00 O ATOM 195 C5' DA A 7 -7.650 -5.670 -5.340 1.00 0.00 C ATOM 196 C4' DA A 7 -8.110 -4.230 -5.420 1.00 0.00 C ATOM 197 O4' DA A 7 -6.960 -3.370 -5.560 1.00 0.00 O ATOM 198 C3' DA A 7 -9.010 -4.010 -6.620 1.00 0.00 C ATOM 199 O3' DA A 7 -10.280 -3.500 -6.170 1.00 0.00 O ATOM 200 C2' DA A 7 -8.250 -3.040 -7.490 1.00 0.00 C ATOM 201 C1' DA A 7 -7.310 -2.360 -6.520 1.00 0.00 C ATOM 202 N9 DA A 7 -6.070 -1.890 -7.180 1.00 0.00 N ATOM 203 C8 DA A 7 -5.230 -2.600 -7.940 1.00 0.00 C ATOM 204 N7 DA A 7 -4.140 -1.890 -8.210 1.00 0.00 N ATOM 205 C5 DA A 7 -4.300 -0.700 -7.640 1.00 0.00 C ATOM 206 C6 DA A 7 -3.530 0.450 -7.610 1.00 0.00 C ATOM 207 N6 DA A 7 -2.320 0.480 -8.160 1.00 0.00 N ATOM 208 N1 DA A 7 -4.000 1.520 -6.960 1.00 0.00 N ATOM 209 C2 DA A 7 -5.170 1.480 -6.350 1.00 0.00 C ATOM 210 N3 DA A 7 -5.940 0.410 -6.360 1.00 0.00 N ATOM 211 C4 DA A 7 -5.520 -0.700 -7.000 1.00 0.00 C ATOM 0 H5' DA A 7 -7.113 -5.831 -4.405 1.00 0.00 H new ATOM 0 H5'' DA A 7 -8.517 -6.331 -5.327 1.00 0.00 H new ATOM 0 H4' DA A 7 -8.663 -4.001 -4.509 1.00 0.00 H new ATOM 0 H3' DA A 7 -9.240 -4.916 -7.181 1.00 0.00 H new ATOM 0 H2' DA A 7 -7.706 -3.553 -8.283 1.00 0.00 H new ATOM 0 H2'' DA A 7 -8.917 -2.325 -7.971 1.00 0.00 H new ATOM 0 H1' DA A 7 -7.791 -1.485 -6.082 1.00 0.00 H new ATOM 0 H8 DA A 7 -5.412 -3.607 -8.285 1.00 0.00 H new ATOM 0 H61 DA A 7 -1.767 1.336 -8.128 1.00 0.00 H new ATOM 0 H62 DA A 7 -1.945 -0.353 -8.613 1.00 0.00 H new ATOM 0 H2 DA A 7 -5.510 2.359 -5.822 1.00 0.00 H new ATOM 223 P DC A 8 -11.560 -3.360 -7.150 1.00 0.00 P ATOM 224 OP1 DC A 8 -12.780 -3.480 -6.320 1.00 0.00 O ATOM 225 OP2 DC A 8 -11.400 -4.260 -8.310 1.00 0.00 O ATOM 226 O5' DC A 8 -11.390 -1.850 -7.660 1.00 0.00 O ATOM 227 C5' DC A 8 -11.670 -0.740 -6.800 1.00 0.00 C ATOM 228 C4' DC A 8 -11.080 0.540 -7.380 1.00 0.00 C ATOM 229 O4' DC A 8 -9.660 0.430 -7.520 1.00 0.00 O ATOM 230 C3' DC A 8 -11.600 0.840 -8.760 1.00 0.00 C ATOM 231 O3' DC A 8 -12.770 1.670 -8.720 1.00 0.00 O ATOM 232 C2' DC A 8 -10.500 1.690 -9.360 1.00 0.00 C ATOM 233 C1' DC A 8 -9.300 1.460 -8.450 1.00 0.00 C ATOM 234 N1 DC A 8 -8.090 1.060 -9.210 1.00 0.00 N ATOM 235 C2 DC A 8 -6.990 1.920 -9.270 1.00 0.00 C ATOM 236 O2 DC A 8 -7.010 3.020 -8.720 1.00 0.00 O ATOM 237 N3 DC A 8 -5.890 1.560 -9.940 1.00 0.00 N ATOM 238 C4 DC A 8 -5.790 0.380 -10.560 1.00 0.00 C ATOM 239 N4 DC A 8 -4.650 0.060 -11.170 1.00 0.00 N ATOM 240 C5 DC A 8 -6.850 -0.510 -10.550 1.00 0.00 C ATOM 241 C6 DC A 8 -8.010 -0.170 -9.870 1.00 0.00 C ATOM 0 H5' DC A 8 -11.254 -0.924 -5.810 1.00 0.00 H new ATOM 0 H5'' DC A 8 -12.747 -0.629 -6.677 1.00 0.00 H new ATOM 0 H4' DC A 8 -11.365 1.328 -6.683 1.00 0.00 H new ATOM 0 H3' DC A 8 -11.850 -0.076 -9.295 1.00 0.00 H new ATOM 0 H2' DC A 8 -10.283 1.392 -10.386 1.00 0.00 H new ATOM 0 H2'' DC A 8 -10.782 2.743 -9.387 1.00 0.00 H new ATOM 0 HO3' DC A 8 -13.078 1.845 -9.634 1.00 0.00 H new ATOM 0 H1' DC A 8 -9.052 2.390 -7.938 1.00 0.00 H new ATOM 0 H41 DC A 8 -4.561 -0.837 -11.647 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.866 0.712 -11.160 1.00 0.00 H new ATOM 0 H5 DC A 8 -6.775 -1.456 -11.065 1.00 0.00 H new ATOM 0 H6 DC A 8 -8.847 -0.852 -9.850 1.00 0.00 H new TER 254 DC A 8 ATOM 255 O5' DG B 9 2.260 8.520 -12.440 1.00 0.00 O ATOM 256 C5' DG B 9 1.240 9.450 -12.810 1.00 0.00 C ATOM 257 C4' DG B 9 0.100 9.450 -11.800 1.00 0.00 C ATOM 258 O4' DG B 9 -0.530 8.150 -11.810 1.00 0.00 O ATOM 259 C3' DG B 9 0.580 9.710 -10.380 1.00 0.00 C ATOM 260 O3' DG B 9 -0.140 10.830 -9.840 1.00 0.00 O ATOM 261 C2' DG B 9 0.310 8.410 -9.640 1.00 0.00 C ATOM 262 C1' DG B 9 -0.820 7.800 -10.450 1.00 0.00 C ATOM 263 N9 DG B 9 -0.880 6.320 -10.360 1.00 0.00 N ATOM 264 C8 DG B 9 0.010 5.450 -10.840 1.00 0.00 C ATOM 265 N7 DG B 9 -0.510 4.230 -10.870 1.00 0.00 N ATOM 266 C5 DG B 9 -1.750 4.310 -10.410 1.00 0.00 C ATOM 267 C6 DG B 9 -2.760 3.380 -10.260 1.00 0.00 C ATOM 268 O6 DG B 9 -2.620 2.230 -10.670 1.00 0.00 O ATOM 269 N1 DG B 9 -3.980 3.800 -9.750 1.00 0.00 N ATOM 270 C2 DG B 9 -4.160 5.150 -9.410 1.00 0.00 C ATOM 271 N2 DG B 9 -5.330 5.560 -8.940 1.00 0.00 N ATOM 272 N3 DG B 9 -3.170 6.020 -9.580 1.00 0.00 N ATOM 273 C4 DG B 9 -1.980 5.640 -10.070 1.00 0.00 C ATOM 0 H5' DG B 9 0.854 9.196 -13.797 1.00 0.00 H new ATOM 0 H5'' DG B 9 1.666 10.451 -12.881 1.00 0.00 H new ATOM 0 H4' DG B 9 -0.586 10.247 -12.088 1.00 0.00 H new ATOM 0 H3' DG B 9 1.635 9.972 -10.305 1.00 0.00 H new ATOM 0 H2' DG B 9 1.188 7.765 -9.619 1.00 0.00 H new ATOM 0 H2'' DG B 9 0.018 8.585 -8.604 1.00 0.00 H new ATOM 0 HO5' DG B 9 2.978 8.540 -13.107 1.00 0.00 H new ATOM 0 H1' DG B 9 -1.775 8.170 -10.077 1.00 0.00 H new ATOM 0 H8 DG B 9 1.011 5.703 -11.159 1.00 0.00 H new ATOM 0 H1 DG B 9 -4.741 3.133 -9.623 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.465 6.540 -8.692 1.00 0.00 H new ATOM 0 H22 DG B 9 -6.095 4.895 -8.827 1.00 0.00 H new ATOM 286 P DT B 10 0.130 11.420 -8.360 1.00 0.00 P ATOM 287 OP1 DT B 10 -0.320 12.830 -8.330 1.00 0.00 O ATOM 288 OP2 DT B 10 1.510 11.090 -7.950 1.00 0.00 O ATOM 289 O5' DT B 10 -0.890 10.510 -7.500 1.00 0.00 O ATOM 290 C5' DT B 10 -2.300 10.680 -7.640 1.00 0.00 C ATOM 291 C4' DT B 10 -3.060 9.690 -6.790 1.00 0.00 C ATOM 292 O4' DT B 10 -2.840 8.330 -7.210 1.00 0.00 O ATOM 293 C3' DT B 10 -2.630 9.790 -5.340 1.00 0.00 C ATOM 294 O3' DT B 10 -3.710 10.320 -4.550 1.00 0.00 O ATOM 295 C2' DT B 10 -2.250 8.380 -4.950 1.00 0.00 C ATOM 296 C1' DT B 10 -2.890 7.520 -6.010 1.00 0.00 C ATOM 297 N1 DT B 10 -2.180 6.240 -6.240 1.00 0.00 N ATOM 298 C2 DT B 10 -2.920 5.050 -6.310 1.00 0.00 C ATOM 299 O2 DT B 10 -4.050 4.970 -5.830 1.00 0.00 O ATOM 300 N3 DT B 10 -2.320 3.890 -6.790 1.00 0.00 N ATOM 301 C4 DT B 10 -0.980 3.870 -7.170 1.00 0.00 C ATOM 302 O4 DT B 10 -0.530 2.850 -7.690 1.00 0.00 O ATOM 303 C5 DT B 10 -0.220 5.040 -7.050 1.00 0.00 C ATOM 304 C7 DT B 10 1.290 5.050 -7.290 1.00 0.00 C ATOM 305 C6 DT B 10 -0.820 6.200 -6.600 1.00 0.00 C ATOM 0 H5' DT B 10 -2.581 10.556 -8.686 1.00 0.00 H new ATOM 0 H5'' DT B 10 -2.576 11.695 -7.354 1.00 0.00 H new ATOM 0 H4' DT B 10 -4.115 9.940 -6.905 1.00 0.00 H new ATOM 0 H3' DT B 10 -1.790 10.466 -5.179 1.00 0.00 H new ATOM 0 H2' DT B 10 -1.168 8.250 -4.931 1.00 0.00 H new ATOM 0 H2'' DT B 10 -2.619 8.128 -3.956 1.00 0.00 H new ATOM 0 H1' DT B 10 -3.898 7.235 -5.709 1.00 0.00 H new ATOM 0 H3 DT B 10 -2.873 3.036 -6.865 1.00 0.00 H new ATOM 0 H71 DT B 10 1.592 6.027 -7.667 1.00 0.00 H new ATOM 0 H72 DT B 10 1.809 4.847 -6.353 1.00 0.00 H new ATOM 0 H73 DT B 10 1.547 4.283 -8.021 1.00 0.00 H new ATOM 0 H6 DT B 10 -0.229 7.101 -6.522 1.00 0.00 H new ATOM 318 P DA B 11 -3.520 10.860 -3.040 1.00 0.00 P ATOM 319 OP1 DA B 11 -4.300 12.110 -2.890 1.00 0.00 O ATOM 320 OP2 DA B 11 -2.080 10.870 -2.690 1.00 0.00 O ATOM 321 O5' DA B 11 -4.230 9.680 -2.210 1.00 0.00 O ATOM 322 C5' DA B 11 -5.650 9.500 -2.290 1.00 0.00 C ATOM 323 C4' DA B 11 -6.060 8.190 -1.640 1.00 0.00 C ATOM 324 O4' DA B 11 -5.360 7.120 -2.310 1.00 0.00 O ATOM 325 C3' DA B 11 -5.700 8.130 -0.170 1.00 0.00 C ATOM 326 O3' DA B 11 -6.880 7.790 0.590 1.00 0.00 O ATOM 327 C2' DA B 11 -4.590 7.120 -0.090 1.00 0.00 C ATOM 328 C1' DA B 11 -4.830 6.250 -1.300 1.00 0.00 C ATOM 329 N9 DA B 11 -3.580 5.650 -1.840 1.00 0.00 N ATOM 330 C8 DA B 11 -2.410 6.250 -2.050 1.00 0.00 C ATOM 331 N7 DA B 11 -1.590 5.460 -2.730 1.00 0.00 N ATOM 332 C5 DA B 11 -2.240 4.320 -2.940 1.00 0.00 C ATOM 333 C6 DA B 11 -1.900 3.130 -3.570 1.00 0.00 C ATOM 334 N6 DA B 11 -0.700 2.990 -4.120 1.00 0.00 N ATOM 335 N1 DA B 11 -2.790 2.140 -3.600 1.00 0.00 N ATOM 336 C2 DA B 11 -3.980 2.290 -3.050 1.00 0.00 C ATOM 337 N3 DA B 11 -4.350 3.400 -2.440 1.00 0.00 N ATOM 338 C4 DA B 11 -3.500 4.430 -2.370 1.00 0.00 C ATOM 0 H5' DA B 11 -5.965 9.509 -3.333 1.00 0.00 H new ATOM 0 H5'' DA B 11 -6.156 10.331 -1.797 1.00 0.00 H new ATOM 0 H4' DA B 11 -7.143 8.101 -1.726 1.00 0.00 H new ATOM 0 H3' DA B 11 -5.356 9.073 0.255 1.00 0.00 H new ATOM 0 H2' DA B 11 -3.610 7.595 -0.123 1.00 0.00 H new ATOM 0 H2'' DA B 11 -4.634 6.545 0.835 1.00 0.00 H new ATOM 0 H1' DA B 11 -5.492 5.430 -1.021 1.00 0.00 H new ATOM 0 H8 DA B 11 -2.162 7.245 -1.712 1.00 0.00 H new ATOM 0 H61 DA B 11 -0.450 2.116 -4.583 1.00 0.00 H new ATOM 0 H62 DA B 11 -0.028 3.756 -4.080 1.00 0.00 H new ATOM 0 H2 DA B 11 -4.681 1.470 -3.101 1.00 0.00 H new ATOM 350 P DC B 12 -6.890 7.440 2.170 1.00 0.00 P ATOM 351 OP1 DC B 12 -8.200 7.860 2.730 1.00 0.00 O ATOM 352 OP2 DC B 12 -5.650 7.920 2.810 1.00 0.00 O ATOM 353 O5' DC B 12 -6.840 5.830 2.110 1.00 0.00 O ATOM 354 C5' DC B 12 -7.880 5.110 1.440 1.00 0.00 C ATOM 355 C4' DC B 12 -7.550 3.630 1.300 1.00 0.00 C ATOM 356 O4' DC B 12 -6.270 3.500 0.640 1.00 0.00 O ATOM 357 C3' DC B 12 -7.430 2.950 2.650 1.00 0.00 C ATOM 358 O3' DC B 12 -8.230 1.750 2.630 1.00 0.00 O ATOM 359 C2' DC B 12 -5.950 2.690 2.800 1.00 0.00 C ATOM 360 C1' DC B 12 -5.540 2.490 1.360 1.00 0.00 C ATOM 361 N1 DC B 12 -4.090 2.660 1.110 1.00 0.00 N ATOM 362 C2 DC B 12 -3.400 1.720 0.330 1.00 0.00 C ATOM 363 O2 DC B 12 -3.930 0.640 0.040 1.00 0.00 O ATOM 364 N3 DC B 12 -2.140 1.950 -0.050 1.00 0.00 N ATOM 365 C4 DC B 12 -1.490 3.060 0.290 1.00 0.00 C ATOM 366 N4 DC B 12 -0.280 3.280 -0.230 1.00 0.00 N ATOM 367 C5 DC B 12 -2.100 4.020 1.080 1.00 0.00 C ATOM 368 C6 DC B 12 -3.410 3.820 1.500 1.00 0.00 C ATOM 0 H5' DC B 12 -8.041 5.541 0.452 1.00 0.00 H new ATOM 0 H5'' DC B 12 -8.813 5.223 1.992 1.00 0.00 H new ATOM 0 H4' DC B 12 -8.356 3.163 0.733 1.00 0.00 H new ATOM 0 H3' DC B 12 -7.794 3.534 3.496 1.00 0.00 H new ATOM 0 H2' DC B 12 -5.430 3.528 3.263 1.00 0.00 H new ATOM 0 H2'' DC B 12 -5.746 1.811 3.412 1.00 0.00 H new ATOM 0 H1' DC B 12 -5.756 1.467 1.053 1.00 0.00 H new ATOM 0 H41 DC B 12 0.236 4.125 0.017 1.00 0.00 H new ATOM 0 H42 DC B 12 0.129 2.603 -0.875 1.00 0.00 H new ATOM 0 H5 DC B 12 -1.565 4.913 1.366 1.00 0.00 H new ATOM 0 H6 DC B 12 -3.900 4.554 2.123 1.00 0.00 H new ATOM 380 P DG B 13 -8.290 0.660 3.820 1.00 0.00 P ATOM 381 OP1 DG B 13 -9.640 0.050 3.820 1.00 0.00 O ATOM 382 OP2 DG B 13 -7.790 1.260 5.080 1.00 0.00 O ATOM 383 O5' DG B 13 -7.210 -0.420 3.310 1.00 0.00 O ATOM 384 C5' DG B 13 -7.510 -1.240 2.170 1.00 0.00 C ATOM 385 C4' DG B 13 -6.520 -2.390 2.030 1.00 0.00 C ATOM 386 O4' DG B 13 -5.210 -1.870 1.730 1.00 0.00 O ATOM 387 C3' DG B 13 -6.410 -3.200 3.310 1.00 0.00 C ATOM 388 O3' DG B 13 -6.550 -4.600 2.990 1.00 0.00 O ATOM 389 C2' DG B 13 -5.060 -2.820 3.880 1.00 0.00 C ATOM 390 C1' DG B 13 -4.270 -2.500 2.630 1.00 0.00 C ATOM 391 N9 DG B 13 -3.170 -1.540 2.860 1.00 0.00 N ATOM 392 C8 DG B 13 -3.290 -0.300 3.340 1.00 0.00 C ATOM 393 N7 DG B 13 -2.190 0.400 3.070 1.00 0.00 N ATOM 394 C5 DG B 13 -1.350 -0.410 2.440 1.00 0.00 C ATOM 395 C6 DG B 13 -0.060 -0.250 1.960 1.00 0.00 C ATOM 396 O6 DG B 13 0.470 0.860 1.970 1.00 0.00 O ATOM 397 N1 DG B 13 0.590 -1.340 1.400 1.00 0.00 N ATOM 398 C2 DG B 13 -0.070 -2.570 1.330 1.00 0.00 C ATOM 399 N2 DG B 13 0.550 -3.630 0.820 1.00 0.00 N ATOM 400 N3 DG B 13 -1.320 -2.690 1.780 1.00 0.00 N ATOM 401 C4 DG B 13 -1.960 -1.650 2.330 1.00 0.00 C ATOM 0 H5' DG B 13 -7.490 -0.630 1.267 1.00 0.00 H new ATOM 0 H5'' DG B 13 -8.520 -1.638 2.263 1.00 0.00 H new ATOM 0 H4' DG B 13 -6.886 -3.032 1.229 1.00 0.00 H new ATOM 0 H3' DG B 13 -7.186 -3.000 4.049 1.00 0.00 H new ATOM 0 H2' DG B 13 -5.127 -1.964 4.551 1.00 0.00 H new ATOM 0 H2'' DG B 13 -4.613 -3.636 4.448 1.00 0.00 H new ATOM 0 H1' DG B 13 -3.820 -3.418 2.252 1.00 0.00 H new ATOM 0 H8 DG B 13 -4.152 0.079 3.869 1.00 0.00 H new ATOM 0 H1 DG B 13 1.541 -1.245 1.043 1.00 0.00 H new ATOM 0 H21 DG B 13 0.068 -4.527 0.769 1.00 0.00 H new ATOM 0 H22 DG B 13 1.508 -3.546 0.480 1.00 0.00 H new ATOM 413 P DT B 14 -6.540 -5.760 4.110 1.00 0.00 P ATOM 414 OP1 DT B 14 -7.160 -6.970 3.540 1.00 0.00 O ATOM 415 OP2 DT B 14 -7.070 -5.220 5.390 1.00 0.00 O ATOM 416 O5' DT B 14 -4.960 -5.980 4.270 1.00 0.00 O ATOM 417 C5' DT B 14 -4.190 -6.590 3.220 1.00 0.00 C ATOM 418 C4' DT B 14 -2.720 -6.570 3.560 1.00 0.00 C ATOM 419 O4' DT B 14 -2.150 -5.250 3.560 1.00 0.00 O ATOM 420 C3' DT B 14 -2.470 -7.160 4.940 1.00 0.00 C ATOM 421 O3' DT B 14 -2.020 -8.520 4.810 1.00 0.00 O ATOM 422 C2' DT B 14 -1.430 -6.240 5.560 1.00 0.00 C ATOM 423 C1' DT B 14 -1.000 -5.360 4.420 1.00 0.00 C ATOM 424 N1 DT B 14 -0.570 -4.010 4.870 1.00 0.00 N ATOM 425 C2 DT B 14 0.670 -3.500 4.460 1.00 0.00 C ATOM 426 O2 DT B 14 1.550 -4.220 3.990 1.00 0.00 O ATOM 427 N3 DT B 14 0.980 -2.160 4.700 1.00 0.00 N ATOM 428 C4 DT B 14 0.080 -1.320 5.360 1.00 0.00 C ATOM 429 O4 DT B 14 0.350 -0.130 5.450 1.00 0.00 O ATOM 430 C5 DT B 14 -1.130 -1.840 5.820 1.00 0.00 C ATOM 431 C7 DT B 14 -2.090 -1.020 6.680 1.00 0.00 C ATOM 432 C6 DT B 14 -1.450 -3.160 5.560 1.00 0.00 C ATOM 0 H5' DT B 14 -4.359 -6.060 2.283 1.00 0.00 H new ATOM 0 H5'' DT B 14 -4.520 -7.618 3.069 1.00 0.00 H new ATOM 0 H4' DT B 14 -2.246 -7.163 2.778 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.359 -7.210 5.569 1.00 0.00 H new ATOM 0 H2' DT B 14 -1.851 -5.656 6.379 1.00 0.00 H new ATOM 0 H2'' DT B 14 -0.591 -6.803 5.968 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.136 -5.793 3.916 1.00 0.00 H new ATOM 0 H3 DT B 14 1.878 -1.789 4.389 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.114 -1.345 6.493 1.00 0.00 H new ATOM 0 H72 DT B 14 -1.850 -1.165 7.733 1.00 0.00 H new ATOM 0 H73 DT B 14 -1.993 0.036 6.428 1.00 0.00 H new ATOM 0 H6 DT B 14 -2.401 -3.547 5.896 1.00 0.00 H new ATOM 445 P DA B 15 -1.770 -9.490 6.070 1.00 0.00 P ATOM 446 OP1 DA B 15 -1.960 -10.890 5.630 1.00 0.00 O ATOM 447 OP2 DA B 15 -2.540 -9.000 7.240 1.00 0.00 O ATOM 448 O5' DA B 15 -0.210 -9.220 6.340 1.00 0.00 O ATOM 449 C5' DA B 15 0.750 -9.560 5.330 1.00 0.00 C ATOM 450 C4' DA B 15 2.070 -8.860 5.570 1.00 0.00 C ATOM 451 O4' DA B 15 1.870 -7.440 5.680 1.00 0.00 O ATOM 452 C3' DA B 15 2.700 -9.340 6.870 1.00 0.00 C ATOM 453 O3' DA B 15 3.940 -10.010 6.560 1.00 0.00 O ATOM 454 C2' DA B 15 2.870 -8.090 7.690 1.00 0.00 C ATOM 455 C1' DA B 15 2.810 -6.990 6.670 1.00 0.00 C ATOM 456 N9 DA B 15 2.330 -5.710 7.240 1.00 0.00 N ATOM 457 C8 DA B 15 1.210 -5.500 7.940 1.00 0.00 C ATOM 458 N7 DA B 15 1.060 -4.210 8.190 1.00 0.00 N ATOM 459 C5 DA B 15 2.100 -3.580 7.660 1.00 0.00 C ATOM 460 C6 DA B 15 2.510 -2.250 7.630 1.00 0.00 C ATOM 461 N6 DA B 15 1.760 -1.300 8.190 1.00 0.00 N ATOM 462 N1 DA B 15 3.660 -1.950 7.020 1.00 0.00 N ATOM 463 C2 DA B 15 4.390 -2.890 6.460 1.00 0.00 C ATOM 464 N3 DA B 15 4.050 -4.160 6.460 1.00 0.00 N ATOM 465 C4 DA B 15 2.910 -4.530 7.060 1.00 0.00 C ATOM 0 H5' DA B 15 0.363 -9.284 4.349 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.904 -10.639 5.320 1.00 0.00 H new ATOM 0 H4' DA B 15 2.722 -9.089 4.727 1.00 0.00 H new ATOM 0 H3' DA B 15 2.106 -10.065 7.427 1.00 0.00 H new ATOM 0 H2' DA B 15 2.082 -7.989 8.436 1.00 0.00 H new ATOM 0 H2'' DA B 15 3.819 -8.088 8.227 1.00 0.00 H new ATOM 0 H1' DA B 15 3.806 -6.797 6.271 1.00 0.00 H new ATOM 0 H8 DA B 15 0.526 -6.273 8.256 1.00 0.00 H new ATOM 0 H61 DA B 15 2.066 -0.327 8.165 1.00 0.00 H new ATOM 0 H62 DA B 15 0.880 -1.546 8.644 1.00 0.00 H new ATOM 0 H2 DA B 15 5.313 -2.605 5.977 1.00 0.00 H new ATOM 477 P DC B 16 4.770 -10.860 7.650 1.00 0.00 P ATOM 478 OP1 DC B 16 5.490 -11.940 6.940 1.00 0.00 O ATOM 479 OP2 DC B 16 3.890 -11.210 8.790 1.00 0.00 O ATOM 480 O5' DC B 16 5.820 -9.750 8.160 1.00 0.00 O ATOM 481 C5' DC B 16 6.920 -9.340 7.340 1.00 0.00 C ATOM 482 C4' DC B 16 7.520 -8.070 7.900 1.00 0.00 C ATOM 483 O4' DC B 16 6.550 -7.010 7.910 1.00 0.00 O ATOM 484 C3' DC B 16 7.950 -8.220 9.340 1.00 0.00 C ATOM 485 O3' DC B 16 9.290 -8.720 9.460 1.00 0.00 O ATOM 486 C2' DC B 16 7.920 -6.790 9.860 1.00 0.00 C ATOM 487 C1' DC B 16 7.070 -6.050 8.840 1.00 0.00 C ATOM 488 N1 DC B 16 5.930 -5.330 9.480 1.00 0.00 N ATOM 489 C2 DC B 16 5.890 -3.930 9.470 1.00 0.00 C ATOM 490 O2 DC B 16 6.790 -3.280 8.950 1.00 0.00 O ATOM 491 N3 DC B 16 4.870 -3.280 10.040 1.00 0.00 N ATOM 492 C4 DC B 16 3.850 -3.920 10.620 1.00 0.00 C ATOM 493 N4 DC B 16 2.880 -3.220 11.180 1.00 0.00 N ATOM 494 C5 DC B 16 3.830 -5.310 10.660 1.00 0.00 C ATOM 495 C6 DC B 16 4.870 -6.020 10.090 1.00 0.00 C ATOM 0 H5' DC B 16 6.583 -9.175 6.317 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.674 -10.126 7.305 1.00 0.00 H new ATOM 0 H4' DC B 16 8.374 -7.851 7.260 1.00 0.00 H new ATOM 0 H3' DC B 16 7.311 -8.921 9.876 1.00 0.00 H new ATOM 0 H2' DC B 16 7.484 -6.736 10.858 1.00 0.00 H new ATOM 0 H2'' DC B 16 8.923 -6.368 9.927 1.00 0.00 H new ATOM 0 HO3' DC B 16 9.526 -8.799 10.408 1.00 0.00 H new ATOM 0 H1' DC B 16 7.695 -5.308 8.343 1.00 0.00 H new ATOM 0 H41 DC B 16 2.097 -3.699 11.625 1.00 0.00 H new ATOM 0 H42 DC B 16 2.914 -2.201 11.167 1.00 0.00 H new ATOM 0 H5 DC B 16 3.009 -5.830 11.132 1.00 0.00 H new ATOM 0 H6 DC B 16 4.867 -7.100 10.114 1.00 0.00 H new TER 508 DC B 16 END